(6-bromanylquinazolin-4-yl)-(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium

Systemtic Name: (6-bromanylquinazolin-4-yl)-(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium Openeye Name: (6-bromoquinazolin-4-yl)-(1-carboxy-3-methylsulfanyl-propyl)ammonium CAS Name: (6-bromo-4-quinazolinyl)-[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: (6-bromoquinazolin-4-yl)-(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)azanium Traditional Name: (6-bromoquinazolin-4-yl)-[1-carboxy-3-(methylthio)propyl]ammonium Formula: C13H15BrN3O2S+ MolecularWeight: 357.2461

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)[NH2+]C1=NC=NC2=C1C=C(C=C2)Br

Isomeric SMILES

CSCCC(C(=O)O)[NH2+]C1=NC=NC2=C1C=C(C=C2)Br

InChI

InChI=1S/C13H14BrN3O2S/c1-20-5-4-11(13(18)19)17-12-9-6-8(14)2-3-10(9)15-7-16-12/h2-3,6-7,11H,4-5H2,1H3,(H,18,19)(H,15,16,17)/p+1